#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly s SER 2 N 0.00 -0.03 0.19 1.61 1.04 -1.26 -5.11 113.70 110.15 2dly s SER 2 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2dly s SER 2 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2dly s SER 2 CO 0.00 -1.32 0.00 -0.24 0.98 0.00 0.00 173.24 172.66 2dly n SER 3 N -1.19 0.27 0.00 7.02 2.88 -1.26 -5.18 113.62 116.17 2dly n SER 3 Ca -0.06 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dly n SER 3 Cb 0.60 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 2dly n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dly n GLY 4 N 2.27 3.67 3.89 0.46 0.00 -1.26 -5.10 105.19 109.12 2dly n GLY 4 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 2dly n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dly s SER 5 N 0.00 6.54 -0.17 1.61 0.15 -1.26 -5.09 113.70 115.48 2dly s SER 5 Ca 0.00 0.72 -0.03 0.00 0.70 0.00 0.00 55.95 57.34 2dly s SER 5 Cb 0.00 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 2dly s SER 5 CO 0.00 -0.01 -0.07 -0.55 1.20 0.00 0.00 173.24 173.81 2dly s SER 6 N -2.44 4.36 0.00 5.45 0.15 -1.26 -4.93 113.70 115.02 2dly s SER 6 Ca 0.44 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2dly s SER 6 Cb -0.12 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 2dly s SER 6 CO 0.24 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2dly n GLY 7 N 3.96 -2.91 3.35 9.45 0.00 -1.26 -5.12 105.19 112.67 2dly n GLY 7 Ca -0.18 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.18 2dly n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 8 N 0.00 -2.82 0.25 4.61 0.00 -1.26 -5.04 121.76 117.50 2dly s ALA 8 Ca 0.00 1.97 -0.10 0.00 0.00 0.00 0.00 51.96 53.83 2dly s ALA 8 Cb 0.00 -2.12 0.37 0.00 0.00 0.00 0.00 23.12 21.38 2dly s ALA 8 CO 0.00 -1.00 1.60 1.49 0.00 0.00 0.00 175.76 177.85 2dly h GLU 9 N 7.50 0.01 -5.94 0.00 4.57 -2.04 -3.38 114.58 115.29 2dly h GLU 9 Ca -0.15 -0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.41 2dly h GLU 9 Cb 1.12 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.65 2dly h GLU 9 CO 0.07 0.01 -0.26 0.16 -1.18 0.00 0.00 179.01 177.80 2dly s ASP 10 N -5.23 6.72 0.03 1.04 -4.77 -1.26 -4.99 116.67 108.20 2dly s ASP 10 Ca -0.14 0.85 0.00 0.00 -3.30 0.00 0.00 52.55 49.96 2dly s ASP 10 Cb 0.23 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 39.85 2dly s ASP 10 CO 0.76 0.34 0.00 0.54 0.70 0.00 0.00 175.17 177.51 2dly n ARG 11 N 1.81 0.00 0.05 2.11 5.12 -1.26 -4.77 116.66 119.72 2dly n ARG 11 Ca -0.15 0.00 0.21 0.00 -1.93 0.00 0.00 57.85 55.98 2dly n ARG 11 Cb 0.53 -0.08 0.68 0.00 -1.16 0.00 0.00 32.46 32.42 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2dly h SER 12 N 0.00 0.00 -0.47 0.55 4.64 -1.97 0.14 113.55 116.44 2dly h SER 12 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2dly h SER 12 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2dly h SER 12 CO 0.00 0.00 0.53 0.25 -0.87 0.00 0.00 176.83 176.74 2dly h LEU 13 N 0.00 0.00 -2.16 5.97 6.46 -1.99 0.22 115.31 123.81 2dly h LEU 13 Ca 0.24 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 2dly h LEU 13 Cb 1.45 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 2dly h LEU 13 CO -0.00 0.00 0.25 0.06 -0.62 0.00 0.00 178.44 178.12 2dly h GLN 14 N 0.00 0.00 0.00 1.25 3.07 -1.06 0.20 115.11 118.56 2dly h GLN 14 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.90 2dly h GLN 14 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.83 2dly h GLN 14 CO -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 178.83 178.64 2dly h ALA 15 N 1.73 1.11 -2.65 0.06 0.00 -0.77 -3.45 119.26 115.29 2dly h ALA 15 Ca 0.11 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 2dly h ALA 15 Cb 0.61 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 18.43 2dly h ALA 15 CO -0.00 0.35 0.83 0.39 0.00 0.00 0.00 179.25 180.83 2dly n GLU 16 N -3.59 2.55 -0.06 0.00 -0.58 0.69 -4.92 120.64 114.72 2dly n GLU 16 Ca -0.01 0.91 -0.13 0.00 -0.42 0.00 0.00 57.16 57.51 2dly n GLU 16 Cb 0.41 -2.67 -0.06 0.00 -0.57 0.00 0.00 31.44 28.55 2dly n GLU 16 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dly h PRO 17 N 4.90 0.45 0.00 3.49 0.13 -1.87 -2.96 132.00 136.14 2dly h PRO 17 Ca -0.46 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2dly h PRO 17 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2dly h PRO 17 CO 0.80 0.81 0.00 0.11 -0.23 0.00 0.00 178.00 179.50 2dly h TRP 18 N 0.11 0.00 -3.41 1.56 5.08 -1.81 -3.42 115.95 114.06 2dly h TRP 18 Ca 0.03 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.40 2dly h TRP 18 Cb 0.73 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.79 2dly h TRP 18 CO 0.08 0.00 0.22 0.12 -1.28 0.00 0.00 178.44 177.58 2dly s PHE 19 N -3.57 3.32 -0.19 0.12 5.36 -1.12 0.41 117.98 122.33 2dly s PHE 19 Ca 0.01 0.94 0.15 0.00 -0.96 0.00 0.00 56.93 57.06 2dly s PHE 19 Cb 0.09 -2.88 0.39 0.00 -0.34 0.00 0.00 43.02 40.29 2dly s PHE 19 CO 0.38 -0.29 1.25 1.19 -1.46 0.00 0.00 175.22 176.29 2dly n PHE 20 N 5.54 0.28 0.00 10.12 3.01 -0.98 -4.82 117.46 130.61 2dly n PHE 20 Ca 0.01 -1.23 0.00 0.00 1.01 0.00 0.00 57.45 57.23 2dly n PHE 20 Cb 0.49 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2dly n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dly n GLY 21 N -1.17 1.24 2.76 1.37 0.00 -1.26 -4.16 105.19 103.97 2dly n GLY 21 Ca 0.20 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 2dly n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 22 N -1.00 1.57 0.19 4.61 0.00 -1.26 0.10 121.76 125.97 2dly s ALA 22 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.42 2dly s ALA 22 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2dly s ALA 22 CO 0.00 -1.58 -0.04 0.96 0.00 0.00 0.00 175.76 175.10 2dly s ILE 23 N 1.60 1.07 0.42 0.00 -4.36 -1.25 -4.86 121.20 113.81 2dly s ILE 23 Ca 0.08 -2.04 -0.06 0.00 -0.26 0.00 0.00 60.65 58.36 2dly s ILE 23 Cb -0.17 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 2dly s ILE 23 CO -0.21 -0.51 0.73 -0.54 0.24 0.00 0.00 174.94 174.64 2dly s LYS 24 N -3.82 3.62 0.42 0.37 1.02 -1.26 -4.62 119.74 115.47 2dly s LYS 24 Ca 0.23 0.21 0.19 0.00 0.02 0.00 0.00 55.97 56.62 2dly s LYS 24 Cb 0.04 -2.44 1.12 0.00 -0.52 0.00 0.00 37.83 36.03 2dly s LYS 24 CO 0.05 -0.07 1.81 0.07 -0.92 0.00 0.00 175.35 176.30 2dly h ARG 25 N 0.78 0.37 -0.53 1.68 0.11 -1.99 0.11 114.38 114.91 2dly h ARG 25 Ca -0.47 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 2dly h ARG 25 Cb 1.20 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 2dly h ARG 25 CO 0.63 0.24 0.28 0.00 0.10 0.00 0.00 179.97 181.22 2dly h ALA 26 N 1.60 0.68 -0.33 0.08 0.00 -1.99 0.17 119.26 119.47 2dly h ALA 26 Ca 0.53 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 2dly h ALA 26 Cb 1.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dly h ALA 26 CO -0.22 0.21 -0.35 -0.44 0.00 0.00 0.00 179.25 178.45 2dly h ASP 27 N 0.71 0.80 -0.40 0.00 5.19 -1.21 -2.63 116.42 118.87 2dly h ASP 27 Ca 0.18 -0.34 -0.14 0.00 -0.62 0.00 0.00 57.03 56.11 2dly h ASP 27 Cb 0.07 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 2dly h ASP 27 CO -0.03 1.07 -0.29 0.00 -3.12 0.00 0.00 179.24 176.87 2dly h ALA 28 N 0.97 0.58 0.50 3.45 0.00 -0.96 -3.17 119.26 120.63 2dly h ALA 28 Ca 0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2dly h ALA 28 Cb 0.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2dly h ALA 28 CO 0.08 0.61 -0.24 0.93 0.00 0.00 0.00 179.25 180.63 2dly h GLU 29 N 0.73 -0.65 -1.72 0.00 5.08 -0.61 -2.16 114.58 115.25 2dly h GLU 29 Ca 0.08 0.04 0.53 0.00 -1.00 0.00 0.00 59.36 59.01 2dly h GLU 29 Cb 0.88 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.17 2dly h GLU 29 CO 0.08 -0.43 1.19 1.63 -1.00 0.00 0.00 179.01 180.48 2dly n LYS 30 N -3.88 -0.02 0.01 2.33 5.02 -1.00 0.24 118.16 120.87 2dly n LYS 30 Ca -0.08 1.15 -0.17 0.00 -2.02 0.00 0.00 58.31 57.19 2dly n LYS 30 Cb 0.27 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 32.73 2dly n LYS 30 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2dly h GLN 31 N 0.00 0.69 -0.05 1.97 1.08 -1.44 -2.96 115.11 114.39 2dly h GLN 31 Ca 0.91 -0.61 -0.12 0.00 -1.45 0.00 0.00 58.65 57.38 2dly h GLN 31 Cb 3.37 0.14 0.01 0.00 -0.05 0.00 0.00 27.48 30.95 2dly h GLN 31 CO -0.21 1.22 -0.46 -0.07 -0.95 0.00 0.00 178.83 178.37 2dly h LEU 32 N 0.44 0.49 -1.20 1.46 3.38 0.37 -3.07 115.31 117.17 2dly h LEU 32 Ca -0.07 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2dly h LEU 32 Cb 1.48 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2dly h LEU 32 CO 0.17 1.11 0.00 0.18 0.09 0.00 0.00 178.44 179.98 2dly n LEU 33 N -4.31 0.56 -4.21 1.67 7.99 0.59 -4.77 117.00 114.51 2dly n LEU 33 Ca -0.09 0.73 -0.35 0.00 -0.01 0.00 0.00 56.01 56.28 2dly n LEU 33 Cb 0.58 -0.76 0.07 0.00 -0.11 0.00 0.00 43.42 43.20 2dly n LEU 33 CO 0.44 -0.84 -0.71 0.00 -1.51 0.00 0.00 177.39 174.76 2dly n TYR 34 N -2.22 -3.31 0.01 -1.77 9.36 -1.12 -4.95 117.16 113.16 2dly n TYR 34 Ca -0.01 0.14 -0.00 0.00 3.32 0.00 0.00 57.90 61.35 2dly n TYR 34 Cb 0.08 -1.62 -0.00 0.00 -0.63 0.00 0.00 39.34 37.16 2dly n TYR 34 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2dly h SER 35 N -0.99 -0.02 -0.88 2.98 0.87 -1.89 -3.30 113.55 110.31 2dly h SER 35 Ca -0.44 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.47 2dly h SER 35 Cb 1.31 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 63.15 2dly h SER 35 CO 0.31 0.01 0.50 -0.62 -0.53 0.00 0.00 176.83 176.50 2dly n GLU 36 N -2.19 -0.04 -2.66 2.24 -0.58 -1.26 -4.21 120.64 111.93 2dly n GLU 36 Ca -0.00 1.06 -0.39 0.00 -0.42 0.00 0.00 57.16 57.40 2dly n GLU 36 Cb 0.01 -1.96 -0.05 0.00 -0.57 0.00 0.00 31.44 28.87 2dly n GLU 36 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2dly s ASN 37 N -4.54 7.45 0.38 1.62 0.01 -1.24 -5.06 114.94 113.55 2dly s ASN 37 Ca -0.07 2.03 0.04 0.00 -0.71 0.00 0.00 52.86 54.15 2dly s ASN 37 Cb 0.26 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2dly s ASN 37 CO 0.62 0.01 0.12 -1.10 -1.51 0.00 0.00 177.10 175.24 2dly s GLN 38 N -1.44 1.82 -0.50 -0.60 -1.52 -1.26 -4.78 119.66 111.39 2dly s GLN 38 Ca 0.44 -2.08 -0.45 0.00 -1.95 0.00 0.00 55.36 51.32 2dly s GLN 38 Cb -0.27 -0.60 -0.19 0.00 -0.22 0.00 0.00 33.01 31.73 2dly s GLN 38 CO 0.33 -0.41 1.88 2.41 -0.25 0.00 0.00 175.29 179.26 2dly n THR 39 N -0.81 0.00 0.00 -0.19 -1.04 -1.26 -1.88 114.28 109.10 2dly n THR 39 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2dly n THR 39 Cb 0.65 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 2dly n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dly n GLY 40 N 5.91 3.11 3.70 3.41 0.00 -0.14 -4.86 105.19 116.31 2dly n GLY 40 Ca 0.44 -0.58 -0.66 0.00 0.00 0.00 0.00 46.02 45.22 2dly n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly n ALA 41 N 0.00 -1.07 -2.61 4.61 0.00 -0.79 -3.81 120.51 116.85 2dly n ALA 41 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 2dly n ALA 41 Cb 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 19.45 17.33 2dly n ALA 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dly s PHE 42 N 3.39 1.13 -0.17 0.00 -0.71 -1.03 -0.92 117.98 119.67 2dly s PHE 42 Ca 1.06 -0.24 -0.10 0.00 -1.04 0.00 0.00 56.93 56.61 2dly s PHE 42 Cb -1.45 -0.72 0.06 0.00 -1.21 0.00 0.00 43.02 39.70 2dly s PHE 42 CO 0.79 -0.01 0.41 -0.48 -1.34 0.00 0.00 175.22 174.59 2dly s LEU 43 N -0.44 -0.00 -0.15 -1.99 0.05 -0.71 -1.67 118.68 113.76 2dly s LEU 43 Ca 0.04 0.89 -0.08 0.00 0.05 0.00 0.00 54.13 55.03 2dly s LEU 43 Cb -0.05 1.37 -0.04 0.00 -2.05 0.00 0.00 46.19 45.42 2dly s LEU 43 CO -0.00 -0.18 0.13 -0.63 -0.55 0.00 0.00 176.35 175.11 2dly s ILE 44 N 1.17 5.41 0.17 1.48 1.09 0.17 -1.84 121.20 128.84 2dly s ILE 44 Ca -0.08 0.18 0.06 0.00 -1.10 0.00 0.00 60.65 59.71 2dly s ILE 44 Cb -0.07 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 2dly s ILE 44 CO -0.10 0.55 -0.13 0.00 -0.10 0.00 0.00 174.94 175.15 2dly s ARG 45 N -0.45 1.18 -0.16 2.79 1.70 -0.77 -2.32 118.95 120.92 2dly s ARG 45 Ca 0.12 -1.47 -0.18 0.00 -0.47 0.00 0.00 55.73 53.73 2dly s ARG 45 Cb -0.12 -0.93 -0.04 0.00 -0.57 0.00 0.00 34.95 33.30 2dly s ARG 45 CO 0.02 0.15 0.47 -1.21 -1.08 0.00 0.00 175.30 173.65 2dly s GLU 46 N -3.45 4.26 -0.52 3.89 2.02 0.28 -1.12 118.70 124.07 2dly s GLU 46 Ca 0.18 0.39 -0.29 0.00 0.02 0.00 0.00 54.97 55.27 2dly s GLU 46 Cb -0.01 -3.49 -0.11 0.00 0.10 0.00 0.00 34.13 30.63 2dly s GLU 46 CO 0.04 0.03 2.40 0.45 0.02 0.00 0.00 175.26 178.20 2dly n SER 47 N 4.15 2.01 0.20 -0.19 2.88 -0.96 -3.77 113.62 117.94 2dly n SER 47 Ca -0.07 -0.10 0.17 0.00 -1.33 0.00 0.00 58.87 57.55 2dly n SER 47 Cb 0.51 -1.39 0.73 0.00 -0.75 0.00 0.00 64.21 63.31 2dly n SER 47 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2dly h GLU 48 N 16.12 0.00 0.00 -1.46 9.09 -1.91 -1.68 114.58 134.74 2dly h GLU 48 Ca -0.23 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.15 2dly h GLU 48 Cb 1.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2dly h GLU 48 CO 1.15 0.00 -0.22 1.03 0.05 0.00 0.00 179.01 181.02 2dly h SER 49 N 0.00 0.00 -3.33 3.06 0.87 -1.98 -3.45 113.55 108.71 2dly h SER 49 Ca 0.11 -0.44 -0.65 0.00 -1.23 0.00 0.00 61.79 59.58 2dly h SER 49 Cb 1.01 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.71 2dly h SER 49 CO -0.00 0.84 -0.72 -1.58 -0.53 0.00 0.00 176.83 174.84 2dly s GLN 50 N -1.99 3.48 0.56 2.24 2.00 -0.63 -5.11 119.66 120.21 2dly s GLN 50 Ca -0.13 -0.62 -0.18 0.00 -2.00 0.00 0.00 55.36 52.44 2dly s GLN 50 Cb -0.00 -2.82 -0.05 0.00 0.80 0.00 0.00 33.01 30.94 2dly s GLN 50 CO 0.36 0.12 1.08 0.21 -0.50 0.00 0.00 175.29 176.56 2dly s LYS 51 N 0.64 3.38 0.00 1.67 2.47 -1.26 -3.60 119.74 123.06 2dly s LYS 51 Ca -0.04 1.40 0.00 0.00 -1.56 0.00 0.00 55.97 55.77 2dly s LYS 51 Cb -0.15 -2.03 0.00 0.00 -1.46 0.00 0.00 37.83 34.19 2dly s LYS 51 CO 0.02 -0.79 0.00 0.41 0.16 0.00 0.00 175.35 175.16 2dly n GLY 52 N -0.36 1.74 3.70 5.54 0.00 -1.26 -4.98 105.19 109.57 2dly n GLY 52 Ca 0.10 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2dly n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dly n ASP 53 N 2.25 1.74 -4.25 1.61 9.92 -1.24 -4.93 116.55 121.65 2dly n ASP 53 Ca 0.00 0.82 -0.14 0.00 -0.53 0.00 0.00 54.79 54.94 2dly n ASP 53 Cb 0.00 -1.51 -0.10 0.00 -0.64 0.00 0.00 41.12 38.87 2dly n ASP 53 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dly s PHE 54 N -1.42 1.25 -0.06 1.24 0.08 -1.26 -2.27 117.98 115.55 2dly s PHE 54 Ca 0.81 -0.88 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 2dly s PHE 54 Cb -0.39 -0.69 0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2dly s PHE 54 CO 0.42 -0.05 0.10 -1.12 -0.10 0.00 0.00 175.22 174.47 2dly s SER 55 N -3.18 0.76 -0.26 1.36 0.01 -0.27 -2.39 113.70 109.72 2dly s SER 55 Ca 0.20 0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.49 2dly s SER 55 Cb 0.04 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2dly s SER 55 CO 0.02 -0.23 0.44 -0.22 0.41 0.00 0.00 173.24 173.66 2dly s LEU 56 N 2.00 4.05 -0.27 2.44 2.96 -0.57 -1.85 118.68 127.44 2dly s LEU 56 Ca 0.01 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2dly s LEU 56 Cb -0.12 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.07 2dly s LEU 56 CO -0.04 -0.23 -0.03 -0.94 -1.32 0.00 0.00 176.35 173.79 2dly s SER 57 N 1.58 4.60 0.11 3.68 1.04 -0.77 -0.66 113.70 123.28 2dly s SER 57 Ca 0.18 -1.00 0.08 0.00 0.48 0.00 0.00 55.95 55.69 2dly s SER 57 Cb -0.16 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 2dly s SER 57 CO 0.09 -0.18 -0.16 -0.69 0.98 0.00 0.00 173.24 173.29 2dly s VAL 58 N 1.31 3.00 -0.13 5.02 1.01 -1.09 -1.74 120.40 127.78 2dly s VAL 58 Ca -0.02 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.42 2dly s VAL 58 Cb -0.18 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2dly s VAL 58 CO -0.03 0.12 0.31 -0.22 0.00 0.00 0.00 175.10 175.29 2dly s LEU 59 N -2.10 4.29 -0.48 3.92 2.96 -0.10 -0.81 118.68 126.36 2dly s LEU 59 Ca 0.19 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 2dly s LEU 59 Cb -0.11 -2.40 0.18 0.00 0.50 0.00 0.00 46.19 44.36 2dly s LEU 59 CO 0.11 0.15 0.40 -0.67 -1.32 0.00 0.00 176.35 175.02 2dly n ASP 60 N 3.20 0.45 -1.72 3.68 2.03 0.90 -0.96 116.55 124.12 2dly n ASP 60 Ca -0.12 -2.61 -0.05 0.00 0.52 0.00 0.00 54.79 52.52 2dly n ASP 60 Cb 0.52 -0.61 0.03 0.00 -0.72 0.00 0.00 41.12 40.34 2dly n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dly n GLU 61 N 2.47 -2.04 -0.35 -0.67 1.02 -1.26 -3.26 120.64 116.56 2dly n GLU 61 Ca 0.27 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2dly n GLU 61 Cb 0.45 -3.53 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 2dly n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dly n GLY 62 N -1.04 2.17 3.90 0.62 0.00 -1.26 -5.01 105.19 104.57 2dly n GLY 62 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2dly n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dly s VAL 63 N -3.30 5.31 -0.35 1.61 0.11 -1.20 -4.86 120.40 117.71 2dly s VAL 63 Ca 0.00 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2dly s VAL 63 Cb 0.00 -3.59 0.05 0.00 -1.53 0.00 0.00 36.38 31.31 2dly s VAL 63 CO 0.00 0.24 0.13 -0.69 -3.33 0.00 0.00 175.10 171.44 2dly s VAL 64 N -1.43 3.75 -0.46 2.04 1.01 -1.26 -0.07 120.40 123.97 2dly s VAL 64 Ca 0.32 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 2dly s VAL 64 Cb -0.13 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.10 2dly s VAL 64 CO 0.21 -0.26 0.76 -0.54 0.00 0.00 0.00 175.10 175.27 2dly s LYS 65 N 1.37 3.35 -0.46 2.72 3.01 0.01 -4.92 119.74 124.83 2dly s LYS 65 Ca -0.01 -0.22 -0.25 0.00 -1.01 0.00 0.00 55.97 54.48 2dly s LYS 65 Cb -0.20 -3.96 0.03 0.00 -1.01 0.00 0.00 37.83 32.68 2dly s LYS 65 CO 0.02 -1.14 0.93 -1.01 0.51 0.00 0.00 175.35 174.65 2dly s HIS 66 N 3.22 2.93 -0.32 3.18 3.76 -1.26 -2.66 115.29 124.14 2dly s HIS 66 Ca 0.28 0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 55.51 2dly s HIS 66 Cb -0.13 -3.96 0.01 0.00 1.11 0.00 0.00 32.58 29.62 2dly s HIS 66 CO 0.21 -1.09 0.13 0.71 -0.85 0.00 0.00 174.74 173.85 2dly s TYR 67 N 3.74 3.19 0.13 1.40 2.02 0.16 -4.99 117.35 123.01 2dly s TYR 67 Ca 0.37 -0.93 -0.31 0.00 -0.37 0.00 0.00 57.07 55.83 2dly s TYR 67 Cb -0.10 -2.32 -0.09 0.00 -0.40 0.00 0.00 41.96 39.05 2dly s TYR 67 CO 0.26 -0.58 1.43 0.50 -1.57 0.00 0.00 175.55 175.59 2dly s ARG 68 N 1.53 4.29 -0.52 -0.62 3.52 -1.26 -1.51 118.95 124.38 2dly s ARG 68 Ca 0.02 2.15 -0.16 0.00 -0.13 0.00 0.00 55.73 57.61 2dly s ARG 68 Cb -0.18 -3.22 0.12 0.00 -1.56 0.00 0.00 34.95 30.11 2dly s ARG 68 CO 0.04 -0.47 0.48 0.42 -0.81 0.00 0.00 175.30 174.96 2dly s ILE 69 N 1.07 5.21 0.01 4.11 1.01 -1.01 -4.64 121.20 126.95 2dly s ILE 69 Ca 0.66 -1.41 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 2dly s ILE 69 Cb -0.39 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 2dly s ILE 69 CO 0.31 -0.81 0.65 -0.13 0.00 0.00 0.00 174.94 174.96 2dly s ARG 70 N 1.61 4.37 0.06 2.79 0.52 -0.12 -4.10 118.95 124.08 2dly s ARG 70 Ca 0.03 0.83 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 2dly s ARG 70 Cb -0.29 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2dly s ARG 70 CO 0.04 0.33 0.10 1.03 0.02 0.00 0.00 175.30 176.82 2dly s ARG 71 N -0.12 3.00 0.43 3.54 3.00 -1.26 -1.14 118.95 126.40 2dly s ARG 71 Ca 0.33 -0.61 0.06 0.00 0.00 0.00 0.00 55.73 55.51 2dly s ARG 71 Cb -0.19 -2.80 0.07 0.00 0.00 0.00 0.00 34.95 32.04 2dly s ARG 71 CO 0.19 0.59 0.59 1.28 0.00 0.00 0.00 175.30 177.95 2dly n LEU 72 N 0.58 0.00 -0.01 2.53 7.99 -0.63 -5.00 117.00 122.47 2dly n LEU 72 Ca -0.09 -1.71 0.08 0.00 -0.01 0.00 0.00 56.01 54.28 2dly n LEU 72 Cb 0.52 -0.33 -0.12 0.00 -0.11 0.00 0.00 43.42 43.38 2dly n LEU 72 CO 0.44 -0.68 -0.64 -0.67 -1.51 0.00 0.00 177.39 174.33 2dly n ASP 73 N -2.60 1.19 -0.02 -1.43 2.03 -1.26 -4.51 116.55 109.95 2dly n ASP 73 Ca 0.12 -0.08 0.04 0.00 0.52 0.00 0.00 54.79 55.39 2dly n ASP 73 Cb 0.42 1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 42.41 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2dly n GLU 74 N -2.01 0.71 0.00 -0.67 0.28 -1.26 -4.99 120.64 112.69 2dly n GLU 74 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 2dly n GLU 74 Cb 0.41 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.99 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dly n GLY 75 N 1.90 0.91 0.00 -1.84 0.00 -1.26 -5.16 105.19 99.75 2dly n GLY 75 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2dly n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dly n GLY 76 N 5.00 0.83 3.65 -0.02 0.00 -1.17 -4.84 105.19 108.65 2dly n GLY 76 Ca 0.00 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2dly n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dly s PHE 77 N 1.22 2.93 -0.28 1.61 0.08 -0.95 -1.61 117.98 120.99 2dly s PHE 77 Ca 0.00 -0.04 -0.18 0.00 0.12 0.00 0.00 56.93 56.83 2dly s PHE 77 Cb 0.00 -1.54 0.08 0.00 -0.57 0.00 0.00 43.02 40.99 2dly s PHE 77 CO 0.00 0.45 0.70 -0.59 -0.10 0.00 0.00 175.22 175.68 2dly s PHE 78 N -1.23 -1.02 -0.08 0.36 -0.12 -0.29 -1.04 117.98 114.56 2dly s PHE 78 Ca 0.23 2.09 0.14 0.00 -0.05 0.00 0.00 56.93 59.35 2dly s PHE 78 Cb -0.11 0.57 -0.17 0.00 -0.63 0.00 0.00 43.02 42.68 2dly s PHE 78 CO 0.15 -0.50 0.81 1.25 -0.05 0.00 0.00 175.22 176.88 2dly h LEU 79 N 6.65 0.00 -8.03 -1.99 5.85 -1.80 -0.30 115.31 115.69 2dly h LEU 79 Ca -0.30 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 2dly h LEU 79 Cb 1.22 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.10 2dly h LEU 79 CO 0.14 0.77 -0.51 0.28 -0.34 0.00 0.00 178.44 178.78 2dly s THR 80 N -2.78 0.17 -0.00 1.05 -1.32 -1.26 -4.78 115.64 106.71 2dly s THR 80 Ca -0.03 -1.49 -0.00 0.00 -1.21 0.00 0.00 61.69 58.96 2dly s THR 80 Cb 0.08 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 2dly s THR 80 CO 0.81 -0.75 1.79 0.54 -2.21 0.00 0.00 174.62 174.80 2dly n ARG 81 N -0.01 1.00 0.00 7.08 5.12 -1.26 -3.06 116.66 125.54 2dly n ARG 81 Ca -0.14 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2dly n ARG 81 Cb 0.62 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 2dly n ARG 81 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dly n ARG 82 N 1.28 1.95 -3.68 5.56 5.12 -1.26 -5.07 116.66 120.56 2dly n ARG 82 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 2dly n ARG 82 Cb 0.50 -0.83 -0.08 0.00 -1.16 0.00 0.00 32.46 30.89 2dly n ARG 82 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2dly s LYS 83 N -1.36 0.68 -0.01 5.56 -0.14 -1.17 -5.17 119.74 118.13 2dly s LYS 83 Ca 0.00 0.45 0.02 0.00 -1.36 0.00 0.00 55.97 55.08 2dly s LYS 83 Cb 0.00 0.32 -0.00 0.00 -1.68 0.00 0.00 37.83 36.47 2dly s LYS 83 CO 0.00 -0.14 -0.08 0.08 -0.76 0.00 0.00 175.35 174.46 2dly s VAL 84 N -0.29 0.61 0.51 3.17 1.01 -1.26 -4.42 120.40 119.73 2dly s VAL 84 Ca -0.05 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2dly s VAL 84 Cb -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2dly s VAL 84 CO 0.03 0.18 0.00 -0.36 0.00 0.00 0.00 175.10 174.95 2dly s PHE 85 N -0.06 1.83 -0.23 5.22 0.08 -0.21 -5.01 117.98 119.60 2dly s PHE 85 Ca 0.01 -0.97 -0.16 0.00 0.12 0.00 0.00 56.93 55.93 2dly s PHE 85 Cb -0.04 -1.60 -0.10 0.00 -0.57 0.00 0.00 43.02 40.71 2dly s PHE 85 CO -0.00 0.21 -0.32 0.43 -0.10 0.00 0.00 175.22 175.45 2dly n SER 86 N -1.28 1.94 -4.37 1.36 7.64 -1.26 -2.24 113.62 115.41 2dly n SER 86 Ca -0.20 0.35 -0.20 0.00 1.01 0.00 0.00 58.87 59.83 2dly n SER 86 Cb 0.67 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 2dly n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dly s THR 87 N -2.64 1.92 0.62 0.44 -4.23 -1.26 -4.11 115.64 106.38 2dly s THR 87 Ca -0.34 -2.19 0.26 0.00 -1.18 0.00 0.00 61.69 58.24 2dly s THR 87 Cb 0.10 -2.06 0.33 0.00 1.34 0.00 0.00 72.50 72.21 2dly s THR 87 CO 0.46 -0.49 1.69 -0.07 -0.54 0.00 0.00 174.62 175.67 2dly h LEU 88 N 2.65 0.00 0.36 4.79 3.38 -1.98 -1.66 115.31 122.85 2dly h LEU 88 Ca -0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2dly h LEU 88 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2dly h LEU 88 CO 0.59 0.00 -0.17 -1.13 0.09 0.00 0.00 178.44 177.82 2dly h ASN 89 N 0.00 -0.41 0.00 -0.43 -0.73 -2.00 -2.62 115.58 109.39 2dly h ASN 89 Ca 0.20 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.39 2dly h ASN 89 Cb 1.51 0.11 0.00 0.00 0.27 0.00 0.00 38.32 40.21 2dly h ASN 89 CO -0.00 -0.24 0.02 -0.33 -0.37 0.00 0.00 177.43 176.51 2dly h GLU 90 N -0.60 0.00 -0.36 6.67 5.08 -1.74 0.22 114.58 123.85 2dly h GLU 90 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 2dly h GLU 90 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2dly h GLU 90 CO 0.08 0.00 -0.41 0.35 -1.00 0.00 0.00 179.01 178.03 2dly h PHE 91 N 0.00 1.09 0.07 4.33 3.04 -1.23 -3.08 116.94 121.16 2dly h PHE 91 Ca 0.00 -0.34 -0.35 0.00 3.98 0.00 0.00 57.97 61.26 2dly h PHE 91 Cb 0.04 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 2dly h PHE 91 CO 0.00 1.16 -2.04 0.28 -2.02 0.00 0.00 178.31 175.69 2dly n VAL 92 N -4.05 1.67 0.12 1.41 0.31 -0.50 -3.67 118.33 113.61 2dly n VAL 92 Ca -0.02 -0.69 0.07 0.00 -0.01 0.00 0.00 64.34 63.69 2dly n VAL 92 Cb 0.56 -1.43 0.39 0.00 -0.91 0.00 0.00 33.84 32.45 2dly n VAL 92 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2dly n ASN 93 N -3.29 0.37 -0.01 4.52 3.02 0.65 -1.48 115.26 119.04 2dly n ASN 93 Ca -0.31 0.65 -0.01 0.00 -0.03 0.00 0.00 54.58 54.89 2dly n ASN 93 Cb 1.05 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2dly n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dly n TYR 94 N -2.00 0.03 -0.30 3.10 4.19 -1.16 -4.55 117.16 116.47 2dly n TYR 94 Ca -0.01 0.01 0.14 0.00 3.31 0.00 0.00 57.90 61.35 2dly n TYR 94 Cb 0.07 -0.14 0.30 0.00 0.49 0.00 0.00 39.34 40.07 2dly n TYR 94 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2dly h TYR 95 N -0.09 0.36 -1.73 2.98 0.05 -1.62 0.26 116.97 117.18 2dly h TYR 95 Ca 0.00 0.05 0.51 0.00 0.05 0.00 0.00 58.73 59.34 2dly h TYR 95 Cb 0.07 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.72 2dly h TYR 95 CO -0.03 -0.23 1.23 0.25 -1.05 0.00 0.00 178.16 178.33 2dly n THR 96 N -5.24 -0.02 -0.01 -2.88 -2.24 -0.55 0.14 114.28 103.48 2dly n THR 96 Ca 0.22 1.37 -0.17 0.00 -2.27 0.00 0.00 64.05 63.20 2dly n THR 96 Cb 0.72 -2.28 -0.14 0.00 -2.10 0.00 0.00 70.33 66.53 2dly n THR 96 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2dly h THR 97 N 0.00 1.62 -3.64 4.28 1.35 -0.73 -3.42 112.91 112.35 2dly h THR 97 Ca 0.84 -2.44 -0.15 0.00 -0.55 0.00 0.00 66.41 64.11 2dly h THR 97 Cb 3.32 3.25 -0.21 0.00 -1.73 0.00 0.00 68.15 72.78 2dly h THR 97 CO -0.05 0.66 -0.56 0.28 -0.25 0.00 0.00 175.52 175.60 2dly s THR 98 N -2.33 0.09 -0.49 6.82 -1.32 0.37 -5.04 115.64 113.74 2dly s THR 98 Ca -0.17 -0.72 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 2dly s THR 98 Cb -0.01 -0.37 0.54 0.00 -1.51 0.00 0.00 72.50 71.16 2dly s THR 98 CO 0.76 -0.40 1.92 -1.54 -2.21 0.00 0.00 174.62 173.15 2dly n SER 99 N 1.57 5.07 -4.47 8.08 3.41 -1.26 -4.27 113.62 121.76 2dly n SER 99 Ca -0.23 -3.55 -0.44 0.00 -0.26 0.00 0.00 58.87 54.39 2dly n SER 99 Cb 0.56 -0.88 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 2dly n SER 99 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dly n ASP 100 N -0.92 0.42 0.00 4.04 8.00 -1.26 0.57 116.55 127.40 2dly n ASP 100 Ca 0.56 0.23 0.00 0.00 0.71 0.00 0.00 54.79 56.30 2dly n ASP 100 Cb 1.25 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dly n GLY 101 N 6.63 2.94 3.74 0.44 0.00 -1.26 -5.03 105.19 112.65 2dly n GLY 101 Ca 0.64 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2dly n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dly s LEU 102 N 0.00 3.52 0.28 0.99 1.43 0.19 -4.92 118.68 120.16 2dly s LEU 102 Ca 0.00 2.39 -0.02 0.00 -1.03 0.00 0.00 54.13 55.47 2dly s LEU 102 Cb 0.00 -4.60 0.39 0.00 0.03 0.00 0.00 46.19 42.01 2dly s LEU 102 CO 0.00 -1.89 1.85 0.00 0.23 0.00 0.00 176.35 176.55 2dly s VAL 104 N -5.40 0.27 0.11 0.00 0.11 -1.26 -5.09 120.40 109.14 2dly s VAL 104 Ca -0.10 -1.57 -0.19 0.00 -2.93 0.00 0.00 61.98 57.19 2dly s VAL 104 Cb 0.16 -1.19 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 2dly s VAL 104 CO 0.80 -0.83 0.60 -0.75 -3.33 0.00 0.00 175.10 171.59 2dly s LYS 105 N -3.19 4.19 -0.52 1.54 2.20 -1.26 -4.73 119.74 117.97 2dly s LYS 105 Ca 0.01 0.74 -0.27 0.00 -0.36 0.00 0.00 55.97 56.09 2dly s LYS 105 Cb 0.02 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2dly s LYS 105 CO -0.07 0.58 1.91 -0.51 -0.36 0.00 0.00 175.35 176.90 2dly s LEU 106 N -1.38 3.36 -0.05 5.43 1.43 -1.26 -4.73 118.68 121.48 2dly s LEU 106 Ca 0.33 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2dly s LEU 106 Cb -0.19 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.24 2dly s LEU 106 CO 0.20 -2.26 -0.01 -0.33 0.23 0.00 0.00 176.35 174.19 2dly h GLU 107 N 14.95 0.00 -3.79 1.70 5.08 -1.87 -3.39 114.58 127.26 2dly h GLU 107 Ca -0.28 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 2dly h GLU 107 Cb 1.18 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.21 2dly h GLU 107 CO 1.16 0.00 -0.63 0.15 -1.00 0.00 0.00 179.01 178.70 2dly s LYS 108 N -1.32 0.35 0.12 2.33 1.02 -1.26 -5.05 119.74 115.94 2dly s LYS 108 Ca -0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 2dly s LYS 108 Cb 0.00 0.13 -0.08 0.00 -0.52 0.00 0.00 37.83 37.37 2dly s LYS 108 CO 0.01 -0.07 1.35 -1.25 -0.92 0.00 0.00 175.35 174.47 2dly s PRO 109 N -1.31 4.35 0.39 -1.68 0.04 -1.26 -2.47 135.00 133.06 2dly s PRO 109 Ca -0.14 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 2dly s PRO 109 Cb -0.08 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 31.07 2dly s PRO 109 CO -0.00 -0.38 0.01 0.00 0.04 0.00 0.00 177.00 176.67 2dly s LEU 111 N 4.06 3.62 -0.10 0.00 0.05 -1.26 -4.61 118.68 120.42 2dly s LEU 111 Ca 0.52 1.47 -0.04 0.00 0.05 0.00 0.00 54.13 56.12 2dly s LEU 111 Cb -0.52 -4.41 -0.04 0.00 -2.05 0.00 0.00 46.19 39.18 2dly s LEU 111 CO 0.56 -0.58 0.05 -0.54 -0.55 0.00 0.00 176.35 175.29 2dly s LYS 112 N -4.16 3.21 -0.06 1.48 1.02 -1.26 -4.99 119.74 114.98 2dly s LYS 112 Ca 0.57 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 56.14 2dly s LYS 112 Cb -0.10 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 2dly s LYS 112 CO 0.34 0.68 0.26 0.42 -0.92 0.00 0.00 175.35 176.13 2dly s ILE 113 N -0.80 5.29 -0.06 2.17 -1.09 -1.26 -5.10 121.20 120.36 2dly s ILE 113 Ca 0.13 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 2dly s ILE 113 Cb -0.12 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2dly s ILE 113 CO 0.03 0.57 -0.13 -1.10 -1.23 0.00 0.00 174.94 173.08 2dly s GLN 114 N -1.14 1.65 -0.05 2.79 -1.52 -1.26 -5.01 119.66 115.11 2dly s GLN 114 Ca 0.20 -0.44 0.00 0.00 -1.95 0.00 0.00 55.36 53.17 2dly s GLN 114 Cb -0.14 -1.38 -0.03 0.00 -0.22 0.00 0.00 33.01 31.24 2dly s GLN 114 CO 0.09 0.08 -0.04 1.33 -0.25 0.00 0.00 175.29 176.50 2dly n VAL 115 N 3.61 0.27 -3.37 1.09 0.24 -1.26 -4.96 118.33 113.96 2dly n VAL 115 Ca -0.21 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 61.55 2dly n VAL 115 Cb 0.52 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 32.13 2dly n VAL 115 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dly s SER 116 N -4.44 6.16 0.00 -1.34 0.15 -1.26 -5.01 113.70 107.97 2dly s SER 116 Ca -0.06 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2dly s SER 116 Cb 0.02 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2dly s SER 116 CO 0.11 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.61 2dly n GLY 117 N 5.14 4.99 0.00 9.45 0.00 -1.26 -5.00 105.19 118.51 2dly n GLY 117 Ca -0.09 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.57 2dly n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dly n PRO 118 N 0.00 0.49 -3.96 1.61 -0.04 -1.26 -4.86 135.00 126.98 2dly n PRO 118 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2dly n PRO 118 Cb 0.00 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 2dly n PRO 118 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dly n SER 119 N -0.89 -1.76 -4.39 3.54 3.41 -1.26 -4.88 113.62 107.39 2dly n SER 119 Ca 0.09 -1.09 -0.45 0.00 -0.26 0.00 0.00 58.87 57.17 2dly n SER 119 Cb 0.04 -2.74 -0.04 0.00 -0.26 0.00 0.00 64.21 61.21 2dly n SER 119 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dly s SER 120 N -4.06 6.34 0.00 4.04 0.15 -1.26 -5.29 113.70 113.62 2dly s SER 120 Ca 0.17 -1.70 0.28 0.00 0.70 0.00 0.00 55.95 55.41 2dly s SER 120 Cb -0.07 -2.31 1.12 0.00 -1.71 0.00 0.00 66.02 63.05 2dly s SER 120 CO 0.91 -1.05 1.79 0.61 1.20 0.00 0.00 173.24 176.70